Task 38669110

Name test_192-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2094_0
Workunit 31611500
Created 25 Oct 2026, 13:40:05 UTC
Sent 25 Oct 2026, 13:40:16 UTC
Report deadline 30 Oct 2026, 13:40:16 UTC
Received 25 Oct 2026, 14:05:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 22 sec
CPU time 22 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,266.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.68 MB
Peak swap size 3.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
14:41:32 (15880): wrapper (7.9.26016): starting
14:41:32 (15880): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:41:33 (15880): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:33 (15880): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
15:04:26 (15880): C:/Windows/system32/cmd.exe exited; CPU time 1330.421875
15:04:26 (15880): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 23599917 bytes.
Dumping objects ->
{3835503} normal block at 0x0000029243034770, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000029243033DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000029243034620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835470} normal block at 0x0000029243034230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x0000029241265FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835428} normal block at 0x0000029242FA6A90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835415} normal block at 0x000002924125DF50, 8 bytes long.
 Data: <  &#139;A&#146;   > 00 00 8B 41 92 02 00 00 
{3833963} normal block at 0x000002924125DE10, 8 bytes long.
 Data: < &#234;&#227;B&#146;   > 90 EA E3 42 92 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000029241261C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000292412560A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000292412668A0, 16 bytes long.
 Data: <&#184;s&A&#146;           > B8 73 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029241266A30, 16 bytes long.
 Data: < s&A&#146;           > 90 73 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029241260310, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000029241266210, 16 bytes long.
 Data: <hs&A&#146;           > 68 73 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000292412666C0, 16 bytes long.
 Data: <@s&A&#146;           > 40 73 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029241266BC0, 16 bytes long.
 Data: < s&A&#146;           > 18 73 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029241266850, 16 bytes long.
 Data: <&#240;r&A&#146;           > F0 72 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029241265D90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000029241266350, 16 bytes long.
 Data: <X %A&#146;           > 58 98 25 41 92 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002924125FA10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000029241266710, 16 bytes long.
 Data: <0 %A&#146;           > 30 98 25 41 92 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029241266670, 16 bytes long.
 Data: <  %A&#146;           > 08 98 25 41 92 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029241266800, 16 bytes long.
 Data: <&#224;&#151;%A&#146;           > E0 97 25 41 92 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029241266E40, 16 bytes long.
 Data: <&#184;&#151;%A&#146;           > B8 97 25 41 92 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029241266B70, 16 bytes long.
 Data: < &#151;%A&#146;           > 90 97 25 41 92 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000292412669E0, 16 bytes long.
 Data: <h&#151;%A&#146;           > 68 97 25 41 92 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029241260250, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000292412663A0, 16 bytes long.
 Data: <@&#151;%A&#146;           > 40 97 25 41 92 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029241259740, 320 bytes long.
 Data: <&#160;c&A&#146;   P &A&#146;   > A0 63 26 41 92 02 00 00 50 02 26 41 92 02 00 00 
{277} normal block at 0x0000029241266490, 16 bytes long.
 Data: <&#208;r&A&#146;           > D0 72 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029241266300, 16 bytes long.
 Data: <&#168;r&A&#146;           > A8 72 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000292412601F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000029241266EE0, 16 bytes long.
 Data: < r&A&#146;           > 80 72 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002924125F9B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000029241266D00, 16 bytes long.
 Data: <&#200;q&A&#146;           > C8 71 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029241266990, 16 bytes long.
 Data: <&#160;q&A&#146;           > A0 71 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029241266620, 16 bytes long.
 Data: <xq&A&#146;           > 78 71 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029241266E90, 16 bytes long.
 Data: <Pq&A&#146;           > 50 71 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029241266170, 16 bytes long.
 Data: <(q&A&#146;           > 28 71 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000292412665D0, 16 bytes long.
 Data: < q&A&#146;           > 00 71 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029241266CB0, 16 bytes long.
 Data: <@\&A&#146;           > 40 5C 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029241265C40, 40 bytes long.
 Data: <&#176;l&A&#146;    j&#250;B&#146;   > B0 6C 26 41 92 02 00 00 90 6A FA 42 92 02 00 00 
{263} normal block at 0x0000029241266940, 16 bytes long.
 Data: <&#224;p&A&#146;           > E0 70 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029241266DA0, 16 bytes long.
 Data: <&#184;p&A&#146;           > B8 70 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002924125FCB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000029241266B20, 16 bytes long.
 Data: < p&A&#146;           > 90 70 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029241267090, 992 bytes long.
 Data: < k&A&#146;   &#176;&#252;%A&#146;   > 20 6B 26 41 92 02 00 00 B0 FC 25 41 92 02 00 00 
{95} normal block at 0x0000029241260670, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002924125DF00, 16 bytes long.
 Data: <&#192;X&A&#146;           > C0 58 26 41 92 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000292412658C0, 40 bytes long.
 Data: < &#223;%A&#146;   p &A&#146;   > 00 DF 25 41 92 02 00 00 70 06 26 41 92 02 00 00 
{72} normal block at 0x000002924125E4A0, 16 bytes long.
 Data: < &#234;4&#215;&#247;           > 80 EA 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002924125DE60, 16 bytes long.
 Data: <@&#233;4&#215;&#247;           > 40 E9 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002924125DD20, 16 bytes long.
 Data: <&#248;W1&#215;&#247;           > F8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002924125DCD0, 16 bytes long.
 Data: <&#216;W1&#215;&#247;           > D8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002924125E540, 16 bytes long.
 Data: <P 1&#215;&#247;           > 50 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002924125DC80, 16 bytes long.
 Data: <0 1&#215;&#247;           > 30 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002924125DEB0, 16 bytes long.
 Data: <&#224; 1&#215;&#247;           > E0 02 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002924125E630, 16 bytes long.
 Data: <  1&#215;&#247;           > 10 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002924125DFA0, 16 bytes long.
 Data: <p 1&#215;&#247;           > 70 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002924125E310, 16 bytes long.
 Data: < &#192;/&#215;&#247;           > 18 C0 2F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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